4-[2-methylpentyl(propan-2-yl)amino]butanoic acid

C13H27NO2 — CID 62265559

IUPAC4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
SMILESCCCC(C)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H27NO2/c1-5-7-12(4)10-14(11(2)3)9-6-8-13(15)16/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyDPMUKIQWNQQIFF-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.00
Rot. Bonds9

About 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid

4-[2-methylpentyl(propan-2-yl)amino]butanoic acid (PubChem CID 62265559) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
PubChem CID62265559
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-[2-methylpentyl(propan-2-yl)amino]butanoic acid
SMILESCCCC(C)CN(CCCC(=O)O)C(C)C
InChIInChI=1S/C13H27NO2/c1-5-7-12(4)10-14(11(2)3)9-6-8-13(15)16/h11-12H,5-10H2,1-4H3,(H,15,16)
InChIKeyDPMUKIQWNQQIFF-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-methylbutyl(propan-2-yl)amino]butanoic acid
CID 62105886
4-[ethyl(propan-2-yl)amino]butanoic acid
CID 21027684
4-[(3-methyl-2-propan-2-ylbutyl)-propan-2-ylamino]butanoic acid
CID 114282079
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
4-[N-(2-methylpentyl)anilino]butanoic acid
CID 62265556
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[pentan-2-ylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61181352
4-[pent-3-ynyl(propan-2-yl)amino]butanoic acid
CID 104808716
4-[[2-(diethylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834108
4-[[2-(heptan-2-ylamino)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834905
4-[2-phenylpropyl(propan-2-yl)amino]butanoic acid
CID 65058347
5-[di(tridecyl)amino]hexanoic acid
CID 101314493

Frequently Asked Questions

What is the IUPAC name of 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid (CID 62265559) is 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid is CCCC(C)CN(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid?
The InChIKey is DPMUKIQWNQQIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-12(4)10-14(11(2)3)9-6-8-13(15)16/h11-12H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid?
4-[2-methylpentyl(propan-2-yl)amino]butanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylpentyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 62265559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).